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CAS 130861-73-3 2-Chloro-5,6,7,8-tetrahydro-8-quinolinol molecular structure lightbox
CAS RN: 130861-73-3

2-Chloro-5,6,7,8-tetrahydro-8-quinolinol

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251220 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-037403
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 130861-73-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Beijing Inquiry

130861-73-3 / 2-chloro-5,6,7,8-tetrahydroquinolin-8-ol

Standard CAS: 130861-73-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
130861-73-3
Multi CAS
No
Molecular Formula
C9H10ClNO
Molecular Weight
183.630000
Exact Mass
183.045092
SMILES
C1CC(C2=C(C1)C=CC(=N2)Cl)O
InChI
InChI=1S/C9H10ClNO/c10-8-5-4-6-2-1-3-7(12)9(6)11-8/h4-5,7,12H,1-3H2
InChIKey
IAJNDQUFQBHDAH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
2
H-bond donors
1
Molar refractivity
47.14
TPSA
33.12

LogP / Solubility

WLOGP
2.1
MLOGP
1.85
XLogP3
1.7
Consensus LogP
1.88
Log S (ESOL)
-2.67
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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